SCHEMBL9742989

SCHEMBL9742989

[O-][S+](CCN1CCOCC1)c1nc2cc(F)ccc2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
USP2 O75604 2/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
ACHE P22303 1/20 0.36
CASR P41180 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9743920 0.87 TMEM97 (0.44) USP2GAAACHE
SCHEMBL9743459 0.86 ABL1 (0.39) RAB9AUSP2GAAALDH1A1MAPT
SCHEMBL9743960 0.83 ALDH1A1 (0.56) SMN1; SMN2GAAALDH1A1MAPTKDM4E
SCHEMBL9743934 0.81 CLK1 (0.52) RAB9ANPC1SMN1; SMN2USP2GAA
SCHEMBL9743503 0.75 TMEM97 (0.57) RAB9ANPC1SMN1; SMN2HRH3
SCHEMBL9742816 0.74 TMEM97 (0.50) RAB9ANPC1SMN1; SMN2USP2GAA
SCHEMBL9744020 0.74 HSP90AA1 (0.46) USP2GAAALDH1A1MAPTKDM4E
SCHEMBL9743877 0.74 CASR (0.45) RAB9ANPC1SMN1; SMN2USP2GAA
SCHEMBL9214629 0.74 GAA (0.40) RAB9ANPC1USP2GAAALDH1A1
SCHEMBL9182499 0.72 DYRK1A (0.39) ILK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5171746-A THIAZOLE AND IMIDAZOLE DERIVATIVES AND ANTIULCER COMPOSITION CONTAINING SAME MEIJI SEIKA KABUSHIKI KAISHA (JP) 1992-12-15 US disclosed
EP-0452076-A1 Thiazole and imidazole derivatives and antiulcer composition containing same MEIJI SEIKA KABUSHIKI KAISHA (JP) 1991-10-16 EP disclosed